1-(1H-Indol-3-yl)-2-piperidin-1-yl-ethane-1,2-dione

Base Information

• Chemical Name: 1-(1H-Indol-3-yl)-2-piperidin-1-yl-ethane-1,2-dione
• CAS No.: 92579-89-0
• Molecular Formula: C15H16 N2 O2
• Molecular Weight: 256.2997
• NSC Number: 118861
• DSSTox Substance ID: DTXSID70297884
• Wikidata: Q82039377
• ChEMBL ID: CHEMBL566294
• Mol file: 92579-89-0.mol

Synonyms:92579-89-0;1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione;1-(1H-Indol-3-yl)-2-piperidin-1-yl-ethane-1,2-dione;NSC118861;CHEMBL566294;SCHEMBL3849918;1-Indol-3-yl-oxoacetylpiperidine;DTXSID70297884;STK710855;AKOS000450655;NSC-118861;SR-01000357999;SR-01000357999-1;1-(1H-indol-3-yl)-2-(1-piperidyl)ethane-1,2-dione

Chemical Property of 1-(1H-Indol-3-yl)-2-piperidin-1-yl-ethane-1,2-dione

Chemical Property:

• Vapor Pressure: 1.05E-08mmHg at 25°C
• Boiling Point: 461.7°C at 760 mmHg
• Flash Point: 233°C
• Density: 1.277g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 256.121177757
• Heavy Atom Count: 19
• Complexity: 363

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)C(=O)C2=CNC3=CC=CC=C32

Technology Process of 1-(1H-Indol-3-yl)-2-piperidin-1-yl-ethane-1,2-dione

There total 5 articles about 1-(1H-Indol-3-yl)-2-piperidin-1-yl-ethane-1,2-dione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

piperidine (110-89-4) + 3-indolylglyoxylic acid (1477-49-2) → 1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione (92579-89-0)

Guidance literature:

3-indolylglyoxylic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h; Inert atmosphere;

piperidine; In tetrahydrofuran; N,N-dimethyl-formamide; Inert atmosphere;

DOI:10.1016/j.ejmech.2014.02.017

Reference yield:

piperidine (110-89-4) + indolyl-3-glyoxylyl chloride (22980-09-2) → 1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione (92579-89-0)

Guidance literature:

With acetone;

DOI:10.1007/BF00905400

Reference yield:

indole (120-72-9) → 1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione (92579-89-0)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: acetone

With diethyl ether; acetone;

DOI:10.1007/BF00905400

upstream raw materials:

piperidine

indolyl-3-glyoxylyl chloride

indole

3-indolylglyoxylic acid

Downstream raw materials:

3-(2-(piperidin-1-yl)ethyl)-1H-indole